Nonylbenzene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.47
    Log Kow (Exper. database match) =  7.11
       Exper. Ref:  Sherblom,PM & Eganhouse,RP (1988)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  281.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00546  (Modified Grain method)
    MP  (exp database):  -24 deg C
    BP  (exp database):  280.5 deg C
    VP  (exp database):  5.71E-03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.03521
       log Kow used: 7.11 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.052834 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.74E-002  atm-m3/mole
   Group Method:   9.96E-002  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.170E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.11  (exp database)
  Log Kaw used:  0.370  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.740
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9414
   Biowin2 (Non-Linear Model)     :   0.9870
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9931  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7583  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4359
   Biowin6 (MITI Non-Linear Model):   0.5320
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2400
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1611
     BioHC Half-Life (days)     :  14.4899

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.761 Pa (0.00571 mm Hg)
  Log Koa (Koawin est  ): 6.740
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-006 
       Octanol/air (Koa) model:  1.35E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000142 
       Mackay model           :  0.000315 
       Octanol/air (Koa) model:  0.000108 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.7883 E-12 cm3/molecule-sec
      Half-Life =     0.677 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.130 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000229 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.759E+004
      Log Koc:  4.575 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 3.159 (BCF = 1443)
       log Kow used: 7.11 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0996 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.467  hours
    Half-Life from Model Lake :      135.9  hours   (5.661 days)

 Removal In Wastewater Treatment:
    Total removal:              94.65  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    88.93  percent
    Total to Air:                5.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.56            16.3         1000       
   Water     4.05            360          1000       
   Soil      29.4            720          1000       
   Sediment  66              3.24e+003    0          
     Persistence Time: 1.18e+003 hr